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	hartrees
Energy at 0K	-40.279465
Energy at 298.15K	-40.279873
HF Energy	-40.279465
Nuclear repulsion energy	35.825870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3504	3504	16.41	70.01	0.22	0.36
2	A'	1034	1034	46.22	4.06	0.75	0.86
3	A'	653	653	0.99	27.50	0.10	0.18
4	A'	295	295	0.09	9.81	0.42	0.60
5	A"	1379	1379	0.36	3.92	0.75	0.86
6	A"	716	716	79.13	11.84	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.022	0.803	0.000
H2	-0.918	1.204	0.000
Cl3	0.022	-0.201	1.452
Cl4	0.022	-0.201	-1.452

	N1	H2	Cl3	Cl4
N1		1.0225	1.7651	1.7651
H2	1.0225		2.2287	2.2287
Cl3	1.7651	2.2287		2.9044
Cl4	1.7651	2.2287	2.9044

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	Cl3	102.907		H2	N1	Cl4	102.907
Cl3	N1	Cl4	110.717

All results from a given calculation for NHCl₂ (dichloroamine)

using model chemistry: wB97X-D/CEP-121G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	N	-0.436
2	H	0.369
3	Cl	0.034
4	Cl	0.034

	x	y	z	Total
	-1.596	0.508	0.000	1.675
CHELPG
AIM
ESP

	x	y	z
x	2.889	-0.214	0.000
y	-0.214	3.711	0.000
z	0.000	0.000	6.961

<r²>	53.830
(<r²>)^1/2	7.337

All results from a given calculation for NHCl2 (dichloroamine)

using model chemistry: wB97X-D/CEP-121G*

States and conformations

All results from a given calculation for NHCl₂ (dichloroamine)